Geometry & MOs

Info

ID:	258546
PubChem CID:	103154859
Reduced:	N2O4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	267.121906
ΔH_f, kcal/mol:	-158.38
Dipole, Da:	8.93
IP(EA), eV:	-9.36(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-[(4-nitrophenyl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CC(CN)OC

DOS

IR

Vibrations